SCHEMBL14189

SCHEMBL14189

N=C(N)NCCCNCc1ccc(-n2cc3cc(-c4cc(CCCCNC(=O)OCc5ccccc5)cc(OC(F)(F)F)c4)[nH]c3nc2=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
SLC6A5 Q9Y345 2/20 0.34
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
KIT P10721 1/20 0.31
FAAH O00519 4/20 0.31
MGLL Q99685 2/20 0.31
AURKA O14965 1/20 0.30
FLT1 P17948 1/20 0.30
KDR P35968 1/20 0.30
FLT3 P36888 1/20 0.30
BCHE P06276 3/20 0.30
ACHE P22303 2/20 0.30
HRH3 Q9Y5N1 1/20 0.30
TMPRSS11D O60235 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14401 0.93 ADORA2A (0.36) ADORA2AADORA2BSLC6A5TNKSTNKS2
SCHEMBL13962 0.89 SLC6A5 (0.30) SLC6A5KIT
SCHEMBL14325720 0.85 PPARG (0.30)
SCHEMBL14318308 0.84
SCHEMBL14318307 0.84
SCHEMBL14318310 0.82
SCHEMBL14188 0.81 MAPT (0.34) ADORA2AADORA2B
SCHEMBL20019877 0.80 CCR6 (0.36) ADORA2AADORA2BTNKSTNKS2BCHE
SCHEMBL14395 0.79
SCHEMBL14447 0.79 KIT (0.36) ADORA2AADORA2BKITKDRBCHE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2016-02-04 US disclosed
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2016-02-04 US disclosed
US-9193731-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-11-24 US disclosed
US-9193731-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-11-24 US disclosed
US-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2012-08-30 US disclosed
WO-2011047319-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2011-04-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT ADORA2A 3926/4885ADORA2B 3920/4885SLC6A5 2821/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT ADORA2A 3926/4885ADORA2B 3920/4885SLC6A5 2821/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.